D(+)-2-Octanol(6169-06-8) IR1
Product NameD(+)-2-Octanol
CAS6169-06-8
Molecular FormulaC8H18O
Molecular Weight130.23
InChIInChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKey SJWFXCIHNDVPSH-QMMMGPOBSA-N
SmilesC[C@H](O)CCCCCC
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Assign. Shift(ppm)
A 3.773 B 2.10 C 1.42 D 1.36 E 1.208 F 1.139 G 0.89Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
68.11 950 1 39.42 955 2 31.92 896 3 29.41 910 4 25.81 1000 5 23.43 701 6 22.66 920 7 14.09 697 8Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
